@article{AwadKochMickleretal.2012,
  author    = {Awad, Duha Jawad and Koch, Andreas and Mickler, Wulfhard and Schilde, Uwe and Strauch, Peter},
  title     = {EPR spectroscopy of 4, 4 '-Bis(tert-butyl)-2, 2 '-bipyridine-1, 2-dithiolatocuprates(II) in host lattices with different coordination geometries},
  series = {Zeitschrift f{\"u}r anorganische und allgemeine Chemie},
  volume    = {638},
  journal   = {Zeitschrift f{\"u}r anorganische und allgemeine Chemie},
  number    = {6},
  publisher = {Wiley-VCH},
  address   = {Weinheim},
  issn      = {0044-2313},
  doi       = {10.1002/zaac.201100517},
  pages     = {965 -- 975},
  year      = {2012},
  abstract  = {A series of new heteroleptic MN2S2 transition metal complexes with M = Cu2+ for EPR measurements and as diamagnetic hosts Ni2+, Zn2+, and Pd2+ were synthesized and characterized. The ligands are N2 = 4, 4'-bis(tert-butyl)-2, 2'-bipyridine (tBu2bpy) and S2 =1, 2-dithiooxalate, (dto), 1, 2-dithiosquarate, (dtsq), maleonitrile-1, 2-dithiolate, or 1, 2-dicyanoethene-1, 2-dithiolate, (mnt). The CuII complexes were studied by EPR in solution and as powders, diamagnetically diluted in the isostructural planar [NiII(tBu2bpy)(S2)] or[PdII(tBu2bpy)(S2)] as well as in tetrahedrally coordinated[ZnII(tBu2bpy)(S2)] host structures to put steric stress on the coordination geometry of the central CuN2S2 unit. The spin density contributions for different geometries calculated from experimental parameters are compared with the electronic situation in the frontier orbital, namely in the semi-occupied molecular orbital (SOMO) of the copper complex, derived from quantum chemical calculations on different levels (EHT and DFT). One of the hosts, [NiII(tBu2bpy)(mnt)], is characterized by X-ray structure analysis to prove the coordination geometry. The complex crystallizes in a square-planar coordination mode in the monoclinic space group P21/a with Z = 4 and the unit cell parameters a = 10.4508(10) angstrom, b = 18.266(2) angstrom, c = 12.6566(12) angstrom, beta = 112.095(7)degrees. Oxidation and reductions potentials of one of the host complexes, [Ni(tBu2bpy)(mnt)], were obtained by cyclovoltammetric measurements.},
  language  = {en}
}
@article{BrietzkeMicklerKellingetal.2012,
  author    = {Brietzke, Thomas Martin and Mickler, Wulfhard and Kelling, Alexandra and Schilde, Uwe and Kr{\"u}ger, Hans-Joerg and Holdt, Hans-J{\"u}rgen},
  title     = {Mono- and dinuclear Ruthenium(II)-1,6,7,12-Tetraazaperylene complexes of N,N '-Dimethyl-2,11-diaza[3.3](2,6)-pyridinophane},
  series = {European journal of inorganic chemistry : a journal of ChemPubSoc Europe},
  journal   = {European journal of inorganic chemistry : a journal of ChemPubSoc Europe},
  number    = {29},
  publisher = {Wiley-VCH},
  address   = {Weinheim},
  issn      = {1434-1948},
  doi       = {10.1002/ejic.201200667},
  pages     = {4632 -- 4643},
  year      = {2012},
  abstract  = {Ruthenium(II) complexes [Ru(L-N4Me2)(dape)](PF6)2 {[1](PF6)2}, [Ru(L-N4Me2)(tape)](PF6)2 {[2](PF6)2}, and [{Ru(L-N4Me2)}2(mu-tape)](PF6)4 {[3](PF6)4} were synthesized in two reaction steps by first reacting [Ru(DMSO)4Cl2] with tetraazamacrocyclic ligand N,N'-dimethyl-2,11-diaza[3.3](2,6)-pyridinophane (L-N4Me2) in ethanol under microwave irradiation to the intermediate [Ru(L-N4Me2)Cl2], which was subsequently, without further isolation, reacted with 1,12-diazaperylene (dape) or 1,6,7,12-tetraazaperylene (tape). X-ray structures of [Ru(L-N4Me2)(dape)](PF6)2, [Ru(L-N4Me2)(tape)](PF6)2.acetone, and [{Ru(L-N4Me2)}2(mu-tape)](ClO4)4.MeCN were determined. The UV/Vis absorption spectra of [1](PF6)2, [2](PF6)2, and [3](PF6)4 in acetonitrile display intense low-energy dp(Ru)?p* (dape or tape) MLCT absorption bands centered at 579, 637, and 794 nm, respectively. Reversible metal oxidations for the bimetallic complex [{Ru(L-N4Me2)}2(mu-tape)]4+ ([3]4+) are detected at 1.69 and 1.28 V vs. SCE. The potential difference ?E = 410 mV and the intervalence-charge-transfer (IVCT) transition at 2472 nm indicate a high degree of electronic interaction between the two ruthenium ions mediated through the tape bridging ligand. All three complexes, [1]2+, [2]2+, and [3]4+, were characterized by UV/Vis spectroelectrochemistry. The monooxidized and monoreduced states, [1]3+, [2]3+, [3]5+, and [1]+, [2]+, [3]3+, are accessible by reversible one-electron oxidation and one-electron reduction processes, respectively, as documented by the observation of several stable isosbestic points in the spectral progressions. The second reduction in each complex and the second oxidation in [3]4+ prove to be irreversible in these spectroelectrochemical experiments. Monoreduced species [1]+, [2]+, and [3]3+ yield EPR signals indicating that the unpaired electron is mainly centered on the large surface ligands dape or tape.},
  language  = {en}
}
@article{CoyBarreraCucaSuarezSefkowetal.2012,
  author    = {Coy-Barrera, Ericsson D. and Cuca-Suarez, Luis E. and Sefkow, Michael and Schilde, Uwe},
  title     = {Cinerin C: a macrophyllin-type bicyclo[3.2.1]octane neolignan from Pleurothyrium cinereum (Lauraceae)},
  series = {Acta crystallographica : Section C, Crystal structure communications},
  volume    = {68},
  journal   = {Acta crystallographica : Section C, Crystal structure communications},
  number    = {2},
  publisher = {Wiley-Blackwell},
  address   = {Hoboken},
  issn      = {0108-2701},
  doi       = {10.1107/S0108270112030946},
  pages     = {O320 -- +},
  year      = {2012},
  abstract  = {The structure of naturally-occurring cinerin C [systematic name: (7S,8R,3'R,4'S,5'R)-Delta(8')-4'-hydroxy-5,5',3'-trimethoxy-3,4-methylenedioxy-2',3',4',5'-tetrahydro-2'-oxo-7.3',8.5'-neolignan], isolated from the ethanol extract of leaves of Pleurothyrium cinereum (Lauraceae), has previously been established by NMR and HRMS spectroscopy, and its absolute configuration established by circular dichroism measurements. For the first time, its crystal strucure has now been established by single-crystal X-ray analysis, as the monohydrate, C22H26O7 center dot H2O. The bicyclooctane moiety comprises fused cyclopentane and cyclohexenone rings which are almost coplanar. An intermolecular O-H center dot center dot center dot O hydrogen bond links the 4'-OH and 5'-OCH3 groups along the c axis.},
  language  = {en}
}
@article{KammerStarkePietruchaetal.2012,
  author    = {Kammer, Stefan and Starke, Ines and Pietrucha, Andreas and Kelling, Alexandra and Mickler, Wulfhard and Schilde, Uwe and Dosche, Carsten and Kleinpeter, Erich and Holdt, Hans-J{\"u}rgen},
  title     = {1,12-Diazaperylene and 2,11-dialkylated-1,12-diazaperylene iridium(III) complexes [Ir((CN)-N-boolean AND)(2)((NN)-N-boolean AND)]PF6: new supramolecular assemblies},
  series = {Dalton transactions : a journal of inorganic chemistry, including bioinorganic, organometallic, and solid-state chemistry},
  volume    = {41},
  journal   = {Dalton transactions : a journal of inorganic chemistry, including bioinorganic, organometallic, and solid-state chemistry},
  number    = {34},
  publisher = {Royal Society of Chemistry},
  address   = {Cambridge},
  issn      = {1477-9226},
  doi       = {10.1039/c2dt30412k},
  pages     = {10219 -- 10227},
  year      = {2012},
  abstract  = {A series of new monocationic iridium(III) complexes [Ir((CN)-N-boolean AND)(2)((NN)-N-boolean AND)]PF6 with "large-surface" alpha,alpha'-diimin ligands (NN)-N-boolean AND (dap = 1,12-diazaperylene, dmedap = 2,11-dimethyl-1,12-diazaperylene, dipdap = 2,11-diisopropyl-1,12-diazaperylene) and different cyclometalating ligands (CN)-N-boolean AND (piq = 1-phenylisoquinoline, bzq = benzo[h]quinoline, ppz = 1-phenylpyrazole, thpy = 2-(2-thienyl)pyridine, ppy = 2-phenylpyridine, meppy = 2-(4-methylphenyl)pyridine, dfppy = 2-(2,4-difluorophenyl)pyridine) were synthesized. The solid structures of the complexes [Ir(piq)(2)(dap)]PF6, [Ir(bzq)(2)(dap)]PF6, [Ir(ppy)(2)(dipdap)]PF6, [Ir(piq)(2)(dmedap)]PF6, [Ir(ppy)(2)(dap)]PF6 and [Ir(ppz)(2)(dap)]PF6 are reported. In [Ir(piq)(2)(dap)]PF6, the dap ligand and one of the piq ligands of each cationic complex are involved in pi-pi stacking interactions forming supramolecular channels running along the crystallographic c axis. In the crystalline [Ir(bzq)(2)(dap)]PF6 pi-pi stacking interactions between the metal complexes lead to the formation of a 2D layer structure. In addition, CH-pi interactions were found in all compounds, which are what stabilizes the solid structure. In particular, a significant number of them were found in [Ir(piq)(2)(dap)]PF6 and [Ir(bzq)(2)(dap)]PF6. The crystal structures of [Ir(ppy)(2)(dipdap)]PF6 and [Ir(ppy)(2)(dmedap)]PF6 are also presented, being the first examples of bis-cyclometalated iridium(III) complexes with phenanthroline-type alpha,alpha'-diimin ligands bearing bulky alkyl groups in the neighbourhood of the N-donor atoms. These ligands implicate a distorted octahedral coordination geometry that in turn destabilized the Ir-N-N boolean AND N bonds. The new iridium (III) complexes are not luminescent. All compounds show an electrochemically irreversible anodic peak between 1.15 and 1.58 V, which is influenced by the different cyclometalated ligands. All of the new complexes show two reversible successive one-electron "large-surface" ligand-centred reductions around -0.70 V and -1.30 V. Electrospray ionisation mass spectrometry (ESI-MS) and collision induced decomposition (CID) measurements were used to investigate the stability of the new complexes. Thereby, the stability agreed well with the order of the Ir-N-N boolean AND N bond lengths.},
  language  = {en}
}
@article{KleinpeterLazarevaShainyanetal.2012,
  author    = {Kleinpeter, Erich and Lazareva, Nataliya F. and Shainyan, Bagrat A. and Schilde, Uwe and Chipania, Nina N.},
  title     = {Synthesis, Molecular Structure, Conformational Analysis, and Chemical Properties of Silicon-Containing Derivatives of Quinolizidine},
  issn      = {0022-3263},
  year      = {2012},
  language  = {en}
}
@article{LazarevaShainyanSchildeetal.2012,
  author    = {Lazareva, Nataliya F. and Shainyan, Bagrat A. and Schilde, Uwe and Chipanina, Nina N. and Oznobikhina, Larisa P. and Albanov, Alexander I. and Kleinpeter, Erich},
  title     = {Synthesis, molecular structure, conformational analysis, and chemical properties of silicon-containing derivatives of quinolizidine},
  series = {The journal of organic chemistry},
  volume    = {77},
  journal   = {The journal of organic chemistry},
  number    = {5},
  publisher = {American Chemical Society},
  address   = {Washington},
  issn      = {0022-3263},
  doi       = {10.1021/jo202658n},
  pages     = {2382 -- 2388},
  year      = {2012},
  abstract  = {A silicon analog of quinolizidine 3,3,7,7-tetramethylhexahydro-1H-[1,4,2]oxazasilino[4,5-d][1,4,2]oxazasilin-9a-yl)methanol 3 was synthesized. X-ray diffraction analysis confirmed the trans configuration and low temperature NMR spectroscopy both the flexibility (barrier of interconversion 5.8 kcal mol(-1)) and the conformational equilibrium (chair-chair and chair-twist conformers) of the compound. The relative stability of the different isomers/conformers of 3 was calculated also at the MP2/6-311G(d,p) level of theory. Intra- and intermolecular hydrogen bonding in 3 and the appropriate equilibrium between free and self-associated molecules was studied in solvents of different polarity. Both the N-methyl quaternary ammonium salt and the O-trimethylsilyl derivative of 3 could be obtained and their structure determined.},
  language  = {en}
}
@article{SchmidtKrehlKellingetal.2012,
  author    = {Schmidt, Bernd and Krehl, Stefan and Kelling, Alexandra and Schilde, Uwe},
  title     = {Synthesis of 8-Aryl-Substituted Coumarins based on Ring-Closing Metathesis and Suzuki-Miyaura coupling - synthesis of a Furyl Coumarin natural product from Galipea panamensis},
  series = {The journal of organic chemistry},
  volume    = {77},
  journal   = {The journal of organic chemistry},
  number    = {5},
  publisher = {American Chemical Society},
  address   = {Washington},
  issn      = {0022-3263},
  doi       = {10.1021/jo2026564},
  pages     = {2360 -- 2367},
  year      = {2012},
  abstract  = {The synthesis of 7-methoxy-8-(4-methyl-3-furyl)-2H-chromen-2-one, a natural product with antileishmanial activity recently isolated from the plant Galipea panamensis, is described. The key step is a Suzuki-Miyaura coupling of a furan-3-boronic acid and an 8-halocoumarin, which is advantageously synthesized using a ring-closing metathesis reaction. Several non-natural analogues are also available along these lines.},
  language  = {en}
}
@article{SetoMaDavisetal.2012,
  author    = {Seto, Jong and Ma, Yurong and Davis, Sean A. and Meldrum, Fiona and Gourrier, Aurelien and Kim, Yi-Yeoun and Schilde, Uwe and Sztucki, Michael and Burghammer, Manfred and Maltsev, Sergey and J{\"a}ger, Christian and C{\"o}lfen, Helmut},
  title     = {Structure-property relationships of a biological mesocrystal in the adult sea urchin spine},
  series = {Proceedings of the National Academy of Sciences of the United States of America},
  volume    = {109},
  journal   = {Proceedings of the National Academy of Sciences of the United States of America},
  number    = {10},
  publisher = {National Acad. of Sciences},
  address   = {Washington},
  issn      = {0027-8424},
  doi       = {10.1073/pnas.1109243109},
  pages     = {3699 -- 3704},
  year      = {2012},
  abstract  = {Structuring overmany length scales is a design strategy widely used in Nature to create materials with unique functional properties. We here present a comprehensive analysis of an adult sea urchin spine, and in revealing a complex, hierarchical structure, showhow Nature fabricates a material which diffracts as a single crystal of calcite and yet fractures as a glassy material. Each spine comprises a highly oriented array of Mg-calcite nanocrystals in which amorphous regions and macromolecules are embedded. It is postulated that this mesocrystalline structure forms via the crystallization of a dense array of amorphous calcium carbonate (ACC) precursor particles. A residual surface layer of ACC and/or macromolecules remains around the nanoparticle units which creates the mesocrystal structure and contributes to the conchoidal fracture behavior. Nature's demonstration of howcrystallization of an amorphous precursor phase can create a crystalline material with remarkable properties therefore provides inspiration for a novel approach to the design and synthesis of synthetic composite materials.},
  language  = {en}
}
@article{ShainyanTolstikovaSchilde2012,
  author    = {Shainyan, Bagrat A. and Tolstikova, Ljudmila L. and Schilde, Uwe},
  title     = {Simple methods for the preparation of N-triflyl guanidines and the structure of compounds with the CF3SO2N=C-N fragment},
  series = {Journal of fluorine chemistry},
  volume    = {135},
  journal   = {Journal of fluorine chemistry},
  number    = {1},
  publisher = {Elsevier},
  address   = {Lausanne},
  issn      = {0022-1139},
  doi       = {10.1016/j.fluchem.2011.12.004},
  pages     = {261 -- 264},
  year      = {2012},
  abstract  = {Two novel and simple approaches to N-triflyl guanidines are elaborated. Owing to very strong conjugation the formally double C=N bond of TIN=C(NHR)(2) is longer than the formally single N-C bonds. Energetic effect of the triflylgroup on the conjugation in the N-C=N moiety is estimated to be >= 150 kcal/mol.},
  language  = {en}
}
@article{TraegerKellingSchildeetal.2012,
  author    = {Tr{\"a}ger, J. and Kelling, A. and Schilde, Uwe and Holdt, H. -J.},
  title     = {rac-1-[(2-Methoxyethyl)sulfanyl]-2-[(2-methoxyethyl)sulfinyl]benzene and its PdCl2 complex},
  series = {Acta crystallographica : Section C, Crystal structure communications},
  volume    = {68},
  journal   = {Acta crystallographica : Section C, Crystal structure communications},
  number    = {9},
  publisher = {Wiley-Blackwell},
  address   = {Hoboken},
  issn      = {0108-2701},
  doi       = {10.1107/S0108270112032192},
  pages     = {M238 -- +},
  year      = {2012},
  abstract  = {As an extension of recent findings on the recovery of palladium with dithioether extractants, single crystals of the chelating vicinal thioether sulfoxide ligand rac-1-[(2-methoxyethyl)sulfanyl]-2-[(2-methoxyethyl)sulfinyl]benzene, C12H18O3S2, (I), and its square-planar dichloridopalladium complex, rac-dichlorido{1-[(2-methoxyethyl)sulfanyl]-2-[(2-methoxyethyl)sulfinyl]benzene-?2S,S'}palladium(II), [PdCl2(C12H18O3S2)], (II), have been synthesized and their structures analysed. The molecular structure of (II) is the first ever characterized involving a dihalogenidePdII complex in which the palladium is bonded to both a thioether and a sulfoxide functional group. The structural and stereochemical characteristics of the ligand are compared with those of the analogous dithioether compound [Traeger et al. (2012). Eur. J. Inorg. Chem. pp. 23412352]. The sulfinyl O atom suppresses the electron-pushing and mesomeric effect of the SC...;CS unit in ligand (I), resulting in bond lengths significantly different than in the dithioether reference compound. In contrast, in complex (II), those bond lengths are nearly the same as in the analogous dithioether complex. As observed previously, there is an interaction between the central PdII atom and the O atom that is situated above the plane.},
  language  = {en}
}